2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid

C6H7NO4S2 — CID 67128442

IUPAC2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid
SMILESCS(=O)(=O)c1csc(CC(=O)O)n1
InChIInChI=1S/C6H7NO4S2/c1-13(10,11)5-3-12-4(7-5)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyAQYVTIZMYBKZPB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.17
Rot. Bonds3

About 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid

2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 67128442) has the molecular formula C6H7NO4S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid
PubChem CID67128442
Molecular FormulaC6H7NO4S2
Molecular Weight221.26 g/mol
Exact Mass220.98
IUPAC Name2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid
SMILESCS(=O)(=O)c1csc(CC(=O)O)n1
InChIInChI=1S/C6H7NO4S2/c1-13(10,11)5-3-12-4(7-5)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyAQYVTIZMYBKZPB-UHFFFAOYSA-N
XLogP0.17
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid (CID 67128442) is 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid is CS(=O)(=O)c1csc(CC(=O)O)n1.
What is the InChIKey of 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is AQYVTIZMYBKZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S2/c1-13(10,11)5-3-12-4(7-5)2-6(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid?
2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 67128442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).